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{
"id": "jvasp-50916",
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"updated_at": "2022-09-04T14:36:33.220132Z",
"structure_string": "Sr2 Sc4 O8\n1.0\n-3.287198 3.287198 4.648987\n3.287198 -3.287198 4.648987\n3.287198 3.287198 -4.648987\nSr Sc O\n2 4 8\ndirect\n0.375000 0.125000 0.250000 Sr\n0.625000 0.875001 0.750001 Sr\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.770017 0.310078 0.040035 O\n0.810078 0.270043 0.540061 O\n0.229982 0.270017 0.959940 O\n0.229957 0.270018 0.540036 O\n0.770043 0.729983 0.459965 O\n0.770018 0.729984 0.040061 O\n0.189923 0.729957 0.459940 O\n0.229984 0.689923 0.959965 O\n",
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{
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"structure_string": "Sr1 Sc1 O3\n1.0\n4.118747 0.000000 -0.000000\n-0.000000 4.118747 0.000000\n0.000000 0.000000 4.118747\nSr Sc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:14.478333Z",
"updated_at": "2022-09-04T14:37:14.478351Z",
"structure_string": "Sr2 Sc4 O8\n1.0\n1.597241 5.244009 -0.000000\n-1.597241 5.244009 -0.000000\n0.000000 0.000000 10.646230\nSr Sc O\n2 4 8\ndirect\n0.111852 0.111852 0.250000 Sr\n0.888148 0.888148 0.750000 Sr\n0.365122 0.365122 0.429509 Sc\n0.634878 0.634878 0.570491 Sc\n0.365122 0.365122 0.070491 Sc\n0.634878 0.634878 0.929509 Sc\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.262980 0.262980 0.604865 O\n0.435441 0.435441 0.250000 O\n0.564559 0.564559 0.750000 O\n0.737021 0.737021 0.395135 O\n0.262980 0.262980 0.895135 O\n0.737021 0.737021 0.104865 O\n",
"nsites": 14,
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"density": 4.497688984795995,
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"volume": 178.34449898210877,
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"formula_full": "Sr2 Sc4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 63
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{
"id": "jvasp-111853",
"created_at": "2022-09-04T14:38:41.652173Z",
"updated_at": "2022-09-04T14:38:41.652195Z",
"structure_string": "Sr6 Sc4 N8\n1.0\n7.285911 0.183323 -0.272547\n-6.010927 6.992506 -0.000001\n0.017314 0.014884 6.103301\nSr Sc N\n6 4 8\ndirect\n0.227906 0.973865 0.059777 Sr\n0.772093 0.745959 0.440222 Sr\n0.772093 0.026135 0.940222 Sr\n0.227905 0.254040 0.559777 Sr\n-0.000001 0.608473 0.750000 Sr\n-0.000000 0.391527 0.250000 Sr\n0.589257 0.410920 0.092581 Sc\n0.410742 0.821662 0.407419 Sc\n0.589256 0.178338 0.592581 Sc\n0.410742 0.589080 0.907418 Sc\n0.327761 0.739479 0.074460 N\n0.236744 0.934551 0.514107 N\n0.763254 0.697806 0.985892 N\n0.763255 0.065449 0.485892 N\n0.236744 0.302194 0.014107 N\n0.672238 0.260521 0.925540 N\n0.327760 0.588282 0.574460 N\n0.672238 0.411718 0.425540 N\n",
"nsites": 18,
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"elements": [
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"chemical_system": "N-Sc-Sr",
"density": 4.273023256692267,
"density_atomic": 0.05665252136049855,
"volume": 317.7263706492444,
"volume_molar": 10.629960706742681,
"formula_full": "Sr6 Sc4 N8",
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"formula_anonymous": "A2B3C4",
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{
"id": "jvasp-67623",
"created_at": "2022-09-04T14:35:56.276464Z",
"updated_at": "2022-09-04T14:35:56.276495Z",
"structure_string": "Sr1 Sc1 Be1\n1.0\n-1.729603 1.729603 6.260816\n1.729603 -1.729603 6.260816\n1.729603 1.729603 -6.260816\nSr Sc Be\n1 1 1\ndirect\n0.645765 0.645765 0.000000 Sr\n0.380832 0.380832 0.000000 Sc\n0.973405 0.973405 0.000000 Be\n",
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{
"id": "jvasp-51220",
"created_at": "2022-09-04T14:37:09.542041Z",
"updated_at": "2022-09-04T14:37:09.542059Z",
"structure_string": "Sr1 Sc1 Be1\n1.0\n-0.000000 3.443240 3.443240\n3.443240 0.000000 3.443240\n3.443240 3.443240 0.000000\nSr Sc Be\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Be\n",
"nsites": 3,
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{
"id": "jvasp-69866",
"created_at": "2022-09-04T14:36:12.033936Z",
"updated_at": "2022-09-04T14:36:12.033964Z",
"structure_string": "Sr1 Sc1 Be2\n1.0\n3.450143 -0.000000 -0.000000\n-0.000000 3.450143 -0.000000\n0.000000 0.000000 6.834534\nSr Sc Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.829505 Be\n0.000000 0.000000 0.170495 Be\n",
"nsites": 4,
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"density": 3.0739143694110442,
"density_atomic": 0.049167360153250024,
"volume": 81.35478470945719,
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"formula_full": "Sr1 Sc1 Be2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-66730",
"created_at": "2022-09-04T14:35:58.196528Z",
"updated_at": "2022-09-04T14:35:58.196554Z",
"structure_string": "Sr1 Sc1 Be1\n1.0\n1.818312 -3.149408 -0.000000\n1.818312 3.149408 0.000000\n0.000000 -0.000000 7.126910\nSr Sc Be\n1 1 1\ndirect\n0.666667 0.333332 0.287221 Sr\n0.333332 0.666667 0.742821 Sc\n0.000000 0.000000 0.969958 Be\n",
"nsites": 3,
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"formula_full": "Sr1 Sc1 Be1",
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},
{
"id": "jvasp-71330",
"created_at": "2022-09-04T14:35:56.253333Z",
"updated_at": "2022-09-04T14:35:56.253356Z",
"structure_string": "Sr2 Sc1 Be1\n1.0\n3.587006 0.000000 -0.000000\n0.000000 3.587006 0.000000\n-0.000000 0.000000 9.544258\nSr Sc Be\n2 1 1\ndirect\n0.000000 0.000000 0.955814 Sr\n0.500001 0.500001 0.326846 Sr\n0.500001 0.500001 0.666104 Sc\n0.000000 0.000000 0.551236 Be\n",
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},
{
"id": "jvasp-23848",
"created_at": "2022-09-04T14:37:42.487679Z",
"updated_at": "2022-09-04T14:37:42.487700Z",
"structure_string": "Sr1 Sb12 Ru4\n1.0\n7.702103 -0.000000 -2.723105\n-3.851052 6.670218 -2.723105\n-0.000000 -0.000000 8.169315\nSr Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.658515 0.841455 0.499968 Sb\n0.158546 0.500031 0.341485 Sb\n0.500031 0.341485 0.158545 Sb\n0.817059 0.658515 0.158545 Sb\n0.841454 0.182941 0.341484 Sb\n0.499969 0.658515 0.841453 Sb\n0.341486 0.841455 0.182940 Sb\n0.158546 0.817060 0.658514 Sb\n0.841454 0.499969 0.658514 Sb\n0.341485 0.158546 0.500030 Sb\n0.182941 0.341485 0.841454 Sb\n0.658514 0.158546 0.817058 Sb\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.500000 0.499999 Ru\n",
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"density": 7.727175849695671,
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"volume": 419.69615690561227,
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"formula_full": "Sr1 Sb12 Ru4",
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{
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"created_at": "2022-09-04T14:35:48.337095Z",
"updated_at": "2022-09-04T14:35:48.337125Z",
"structure_string": "Sr1 Sb2 Ru2\n1.0\n4.486911 0.000000 -0.000000\n0.000000 4.486911 -0.000000\n-2.243456 -2.243456 5.731617\nSr Sb Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.635900 0.635900 0.271802 Sb\n0.364099 0.364099 0.728198 Sb\n0.250000 0.749999 0.500000 Ru\n0.749999 0.250000 0.500000 Ru\n",
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"formula_full": "Sr1 Sb2 Ru2",
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},
{
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"created_at": "2022-09-04T14:36:51.166275Z",
"updated_at": "2022-09-04T14:36:51.166298Z",
"structure_string": "Sr1 Sb1 Pt1\n1.0\n2.288697 -3.964138 -0.000000\n2.288697 3.964138 0.000000\n-0.000000 0.000000 4.470131\nSr Sb Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.500000 Sb\n0.333334 0.666668 0.500000 Pt\n",
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}